Activity origin and design principles for atomic vanadium anchoring on phosphorene monolayer for nitrogen reduction reaction

Metal-free two-dimensional phosphorus carbide as an efficient electrocatalyst for hydrogen evolution reaction comparable to platinum

(2020) Xiongyi Liang et al.   Nano Energy

gt-C3N4 coordinated single atom as an efficient electrocatalyst for nitrogen reduction reaction

(2019) Lifu Zhang et al.   Nano Research

Catalytic origin and universal descriptors of heteroatom-doped photocatalysts for solar fuel production

(2019) Yonghao Zhu et al.   Nano Energy

New Mechanism for N2 Reduction: The Essential Role of Surface Hydrogenation

(2019) Chongyi Ling et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-throughput screening of transition metal single atom catalysts anchored on molybdenum disulfide for nitrogen fixation

(2019) Tong Yang et al.   Nano Energy

Enhanced Hydrogen Purification in Nanoporous Phosphorene Membrane with Applied Electric Field

(2018) Xiongyi Liang et al.   Journal of Physical Chemistry C

Nitrogen fixation and reduction at boron

(2018) Marc-André Légaré et al.   SCIENCE

A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions

(2018) Xiaoyang Cui et al.   Advanced Energy Materials

Surfactant-free atomically ultrathin rhodium nanosheet nanoassemblies for efficient nitrogen electroreduction

(2018) Hui-Min Liu et al.   Journal of Materials Chemistry A

Double-atom catalysts: transition metal dimer-anchored C2N monolayers as N2 fixation electrocatalysts

(2018) Xu Zhang et al.   Journal of Materials Chemistry A

Metal-Free Single Atom Catalyst for N2 Fixation Driven by Visible Light

(2018) Chongyi Ling et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nitrogen Fixation by Ru Single-Atom Electrocatalytic Reduction

(2018) Hengcong Tao et al.   Chem

Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

(2017) Jingxiang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural and Electronic Descriptors of Catalytic Activity of Graphene-Based Materials: First-Principles Theoretical Analysis

(2017) S. Sinthika et al.   Small

Promising prospects for 2D d2–d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammonia

(2016) Luis Miguel Azofra et al.   Energy & Environmental Science

2D phosphorene as a water splitting photocatalyst: fundamentals to applications

(2016) Mohammad Ziaur Rahman et al.   Energy & Environmental Science

Electronic and Electrical Conductivity of AB and AA-Stacked Bilayer Graphene with Tunable Layer Separation

(2016) M. L. Ould NE et al.   Journal of Superconductivity and Novel Magnetism

Electron Doping of Ultrathin Black Phosphorus with Cu Adatoms

(2016) Steven P. Koenig et al.   NANO LETTERS

Reproducibility in density functional theory calculations of solids

(2016) K. Lejaeghere et al.   SCIENCE

The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations

(2015) Joseph H. Montoya et al.   ChemSusChem

First-Principles Study of Metal Adatom Adsorption on Black Phosphorene

(2015) Tao Hu et al.   Journal of Physical Chemistry C

Defects in Phosphorene

(2015) Wei Hu et al.   Journal of Physical Chemistry C

Complete nitrification by a single microorganism

(2015) Maartje A. H. J. van Kessel et al.   NATURE

A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

(2011) Egill Skúlason et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS